==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKQ . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M > 0 0 59 0, 0.0 3,-1.5 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -10.0 -0.2 56.5 14.0 2 2 A E T 3 + 0 0 81 1,-0.3 22,-0.1 3,-0.0 0, 0.0 0.674 360.0 69.7 -69.3 -17.9 0.1 60.3 13.9 3 3 A N T 3 S+ 0 0 97 20,-0.1 21,-2.9 21,-0.1 22,-0.4 0.475 92.6 72.4 -77.6 -4.7 2.5 59.9 16.9 4 4 A F E < -A 23 0A 24 -3,-1.5 2,-0.5 19,-0.2 19,-0.2 -0.953 62.0-159.7-120.8 134.5 5.2 58.3 14.6 5 5 A Q E -A 22 0A 89 17,-2.4 17,-2.8 -2,-0.4 2,-0.2 -0.958 25.2-132.6-106.7 118.6 7.4 59.9 11.9 6 6 A K E -A 21 0A 114 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.544 23.4-178.3 -73.8 132.6 8.6 57.3 9.4 7 7 A V E - 0 0 50 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.873 60.4 -34.8 -94.5 -52.6 12.4 57.6 8.7 8 8 A E E -A 20 0A 121 12,-1.2 12,-3.0 0, 0.0 -1,-0.4 -0.969 62.8 -87.3-167.1 158.3 12.9 54.7 6.1 9 9 A K E -A 19 0A 130 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.590 31.1-173.0 -73.2 127.1 11.7 51.3 5.0 10 10 A I E - 0 0 86 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.802 57.6 -64.4 -86.9 -43.1 13.8 48.6 6.8 11 11 A G E -A 18 0A 25 7,-1.7 7,-3.3 2,-0.0 2,-0.7 -0.964 45.1 -82.6 171.3 177.5 12.4 45.7 4.8 12 12 A E E -A 17 0A 69 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.923 48.2-169.0-110.7 100.9 9.4 43.5 3.8 13 13 A G - 0 0 25 3,-2.0 3,-0.1 -2,-0.7 114,-0.0 -0.153 38.2 -93.7 -79.9 179.8 8.8 40.8 6.5 14 14 A T S S+ 0 0 59 1,-0.2 3,-0.1 108,-0.1 -1,-0.0 0.868 125.0 30.3 -62.7 -42.8 6.6 37.7 6.4 15 15 A Y S S- 0 0 42 1,-0.3 21,-2.3 20,-0.0 2,-0.2 0.406 131.2 -40.0-101.9 2.4 3.6 39.5 8.1 16 16 A G E S- B 0 35A 1 19,-0.2 -3,-2.0 -3,-0.1 -1,-0.3 -0.881 72.6 -54.4 155.8 171.9 4.2 43.1 6.8 17 17 A V E -AB 12 34A 33 17,-0.6 17,-2.0 -5,-0.2 2,-0.5 -0.530 44.9-144.6 -77.5 135.3 6.6 46.0 5.9 18 18 A V E -AB 11 33A 21 -7,-3.3 -8,-3.0 -2,-0.2 -7,-1.7 -0.899 17.6-173.8-105.0 131.7 9.0 47.2 8.7 19 19 A Y E -AB 9 32A 54 13,-2.8 13,-3.2 -2,-0.5 2,-0.4 -0.941 26.7-128.0-122.2 148.3 9.9 50.9 8.9 20 20 A K E +AB 8 31A 41 -12,-3.0 -13,-3.3 -2,-0.3 -12,-1.2 -0.780 46.1 170.2 -87.0 133.6 12.4 52.7 11.1 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.6 -2,-0.4 2,-0.4 -0.958 33.3-124.9-145.5 161.9 10.4 55.5 12.8 22 22 A R E -AB 5 29A 105 -17,-2.8 -17,-2.4 -2,-0.3 2,-0.8 -0.947 22.1-129.2-112.9 133.1 10.6 58.2 15.5 23 23 A N E > -A 4 0A 26 5,-3.4 4,-2.9 -2,-0.4 5,-0.3 -0.731 21.2-150.2 -78.0 106.0 8.1 58.4 18.4 24 24 A K T 4 S+ 0 0 132 -21,-2.9 -1,-0.2 -2,-0.8 -20,-0.1 0.724 90.0 40.9 -51.0 -32.2 7.1 62.2 18.1 25 25 A L T 4 S+ 0 0 155 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.914 126.6 28.0 -85.9 -49.3 6.4 62.6 21.8 26 26 A T T 4 S- 0 0 97 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.672 94.4-128.8 -85.8 -22.3 9.2 60.6 23.5 27 27 A G < + 0 0 54 -4,-2.9 -3,-0.1 1,-0.3 2,-0.1 0.421 55.4 154.5 84.1 1.2 11.8 61.0 20.7 28 28 A E - 0 0 83 -5,-0.3 -5,-3.4 -6,-0.1 2,-0.5 -0.337 41.8-137.2 -64.3 136.4 12.3 57.2 20.8 29 29 A V E +B 22 0A 58 -7,-0.2 48,-0.6 -3,-0.1 2,-0.3 -0.867 38.2 163.4 -98.5 127.5 13.6 55.5 17.6 30 30 A V E -BC 21 76A 0 -9,-2.6 -9,-2.6 -2,-0.5 2,-0.5 -0.844 42.0-110.1-137.1 171.8 11.6 52.3 16.9 31 31 A A E -BC 20 75A 10 44,-2.7 44,-3.2 -2,-0.3 2,-0.5 -0.952 31.8-159.8-109.8 127.7 10.8 49.7 14.3 32 32 A L E -BC 19 74A 2 -13,-3.2 -13,-2.8 -2,-0.5 2,-0.5 -0.956 4.8-167.3-114.3 122.6 7.2 49.9 13.1 33 33 A K E -BC 18 73A 3 40,-2.8 40,-2.8 -2,-0.5 2,-0.6 -0.949 9.2-153.5-110.8 124.1 5.6 46.9 11.4 34 34 A K E -BC 17 72A 79 -17,-2.0 -17,-0.6 -2,-0.5 2,-0.3 -0.890 21.9-134.1 -96.4 116.7 2.3 47.4 9.6 35 35 A I E -BC 16 71A 7 36,-3.1 36,-0.6 -2,-0.6 2,-0.5 -0.610 12.4-136.8 -75.8 128.2 0.5 43.9 9.6 36 36 A R 0 0 136 -21,-2.3 -1,-0.0 -2,-0.3 34,-0.0 -0.749 360.0 360.0 -87.1 126.8 -1.0 43.0 6.2 37 37 A L 0 0 134 -2,-0.5 33,-0.0 2,-0.0 -1,-0.0 -0.653 360.0 360.0-105.2 360.0 -4.5 41.5 6.5 38 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 39 44 A V 0 0 51 0, 0.0 31,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.2 -8.4 42.4 12.6 40 45 A P > - 0 0 80 0, 0.0 4,-1.4 0, 0.0 3,-0.2 -0.284 360.0-135.7 -61.1 139.5 -9.2 39.0 14.3 41 46 A S H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.770 103.7 56.6 -63.2 -33.2 -9.8 39.1 18.1 42 47 A T H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 104.6 53.6 -67.9 -37.0 -7.6 36.0 18.8 43 48 A A H > S+ 0 0 2 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.922 108.0 50.1 -63.8 -42.3 -4.6 37.7 17.0 44 49 A I H X S+ 0 0 40 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.915 113.2 45.4 -60.7 -48.4 -5.0 40.8 19.3 45 50 A R H X S+ 0 0 156 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.915 115.5 46.0 -62.7 -47.3 -5.0 38.6 22.5 46 51 A E H X S+ 0 0 39 -4,-2.4 4,-1.1 2,-0.2 3,-0.4 0.916 114.4 47.6 -63.7 -43.7 -2.1 36.4 21.4 47 52 A I H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 3,-0.5 0.903 108.1 57.1 -64.3 -39.5 0.0 39.5 20.3 48 53 A S H < S+ 0 0 50 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.803 102.5 54.0 -62.7 -29.1 -0.8 41.2 23.6 49 54 A L H >< S+ 0 0 107 -4,-1.3 3,-1.4 -3,-0.4 4,-0.3 0.829 99.7 62.3 -74.8 -28.8 0.7 38.3 25.6 50 55 A L H >< S+ 0 0 20 -4,-1.1 3,-1.2 -3,-0.5 11,-0.3 0.760 88.8 70.2 -67.6 -23.1 3.9 38.7 23.6 51 56 A K T 3< S+ 0 0 76 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.736 96.9 52.6 -62.5 -26.8 4.4 42.2 25.1 52 57 A E T < S+ 0 0 148 -3,-1.4 2,-1.3 -4,-0.3 -1,-0.3 0.538 83.9 98.3 -85.7 -11.9 5.1 40.5 28.5 53 58 A L < + 0 0 17 -3,-1.2 2,-0.4 -4,-0.3 8,-0.3 -0.668 52.7 168.8 -85.7 86.9 7.8 38.3 27.0 54 59 A N + 0 0 96 -2,-1.3 5,-0.1 6,-0.1 -3,-0.0 -0.883 7.4 144.8-104.8 130.0 11.1 40.2 27.9 55 60 A H > - 0 0 45 -2,-0.4 3,-1.9 3,-0.4 5,-0.1 -0.947 55.1-116.2-155.2 149.1 14.6 38.6 27.5 56 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.691 116.7 49.4 -62.2 -20.3 18.0 40.3 26.5 57 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.182 97.7 82.3-104.9 16.1 18.1 38.1 23.3 58 63 A I B < S-e 138 0B 12 -3,-1.9 2,-0.5 79,-0.3 -3,-0.4 -0.980 85.3-118.0-121.9 128.8 14.5 38.8 22.2 59 64 A V - 0 0 8 79,-2.7 81,-0.3 -2,-0.4 82,-0.2 -0.551 43.3-114.4 -66.4 116.5 13.6 42.0 20.2 60 65 A K - 0 0 57 -2,-0.5 16,-2.3 1,-0.1 2,-0.9 -0.319 14.2-143.0 -60.6 128.0 11.2 43.8 22.6 61 66 A L E +D 75 0A 9 -11,-0.3 14,-0.2 -8,-0.3 3,-0.1 -0.844 24.6 179.9 -90.4 101.5 7.5 44.2 21.4 62 67 A L E - 0 0 43 12,-1.7 2,-0.3 -2,-0.9 13,-0.2 0.896 54.7 -4.9 -71.7 -48.6 6.8 47.7 22.8 63 68 A D E -D 74 0A 79 11,-1.8 11,-3.1 2,-0.0 2,-0.5 -0.998 46.8-141.7-154.8 155.5 3.2 48.2 21.7 64 69 A V E -D 73 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.969 21.7-167.1-115.9 122.3 0.3 46.9 19.8 65 70 A I E -D 72 0A 37 7,-2.8 7,-2.8 -2,-0.5 2,-0.7 -0.965 6.9-177.3-119.3 111.2 -1.7 49.6 17.9 66 71 A H E +D 71 0A 93 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.933 25.5 147.7-110.1 98.1 -5.1 48.5 16.6 67 72 A T E > +D 70 0A 61 3,-2.2 3,-1.9 -2,-0.7 -2,-0.1 -0.997 59.0 1.1-139.3 140.9 -6.6 51.5 14.7 68 73 A E T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.836 126.4 -60.0 50.5 44.1 -8.9 52.0 11.7 69 74 A N T 3 S+ 0 0 70 1,-0.2 2,-0.3 -30,-0.1 -1,-0.3 0.586 118.2 112.7 61.1 16.8 -9.2 48.2 11.2 70 75 A K E < - D 0 67A 89 -3,-1.9 -3,-2.2 -31,-0.1 2,-0.5 -0.873 58.6-141.5-118.5 148.1 -5.4 48.1 10.8 71 76 A L E -CD 35 66A 0 -36,-0.6 -36,-3.1 -2,-0.3 2,-0.4 -0.946 15.6-177.5-117.0 128.9 -2.7 46.6 13.0 72 77 A Y E -CD 34 65A 32 -7,-2.8 -7,-2.8 -2,-0.5 2,-0.5 -0.985 12.1-154.7-122.5 134.3 0.7 48.1 13.8 73 78 A L E -CD 33 64A 0 -40,-2.8 -40,-2.8 -2,-0.4 2,-0.5 -0.916 8.4-153.8-108.0 129.7 3.4 46.4 16.0 74 79 A V E +CD 32 63A 4 -11,-3.1 -11,-1.8 -2,-0.5 -12,-1.7 -0.932 22.7 178.4-104.4 122.0 5.9 48.8 17.6 75 80 A F E -CD 31 61A 13 -44,-3.2 -44,-2.7 -2,-0.5 -14,-0.2 -0.869 36.7 -91.6-123.1 161.0 9.3 47.2 18.4 76 81 A E E -C 30 0A 51 -16,-2.3 2,-0.4 -2,-0.3 -46,-0.2 -0.340 49.6-126.5 -60.1 139.6 12.7 48.0 19.8 77 82 A F - 0 0 39 -48,-0.6 2,-0.3 -47,-0.1 -48,-0.1 -0.844 25.4-174.4-100.3 138.4 15.1 49.1 17.0 78 83 A L - 0 0 12 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.933 26.5-128.5-125.8 149.6 18.5 47.5 16.2 79 84 A H S S+ 0 0 105 51,-0.3 2,-0.3 -2,-0.3 52,-0.1 0.611 79.5 19.9 -77.9 -19.1 20.9 48.8 13.5 80 85 A Q E -F 130 0B 14 50,-1.1 50,-2.9 205,-0.1 2,-0.2 -0.996 61.8-137.2-150.9 151.6 21.8 45.8 11.5 81 86 A D E > -F 129 0B 44 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.609 33.3-110.5-101.0 167.6 20.5 42.3 10.7 82 87 A L H > S+ 0 0 0 46,-2.4 4,-3.0 43,-1.2 5,-0.2 0.811 114.7 62.6 -68.3 -28.1 22.7 39.1 10.5 83 88 A K H > S+ 0 0 71 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.941 107.5 41.4 -60.5 -50.9 22.1 38.9 6.7 84 89 A K H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.919 115.9 51.7 -64.4 -40.9 23.9 42.3 6.1 85 90 A F H X S+ 0 0 9 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.907 110.4 47.1 -62.6 -43.0 26.6 41.4 8.6 86 91 A M H < S+ 0 0 20 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.901 113.1 49.8 -66.0 -37.9 27.3 38.0 6.9 87 92 A D H >< S+ 0 0 98 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.917 112.2 47.2 -65.6 -41.8 27.4 39.8 3.5 88 93 A A H 3< S+ 0 0 78 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.808 115.5 46.0 -65.7 -34.1 29.9 42.4 4.9 89 94 A S T 3X S+ 0 0 15 -4,-1.9 4,-3.2 -5,-0.2 -1,-0.2 0.220 81.4 107.9 -92.1 8.6 32.0 39.7 6.5 90 95 A A T <4 S+ 0 0 45 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.780 75.2 52.0 -60.6 -31.3 32.0 37.5 3.3 91 96 A L T 4 S+ 0 0 161 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.891 128.5 16.5 -73.2 -40.4 35.7 38.1 2.4 92 97 A T T 4 S- 0 0 116 -3,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.631 103.9-124.8-106.0 -26.2 37.2 37.2 5.8 93 98 A G < - 0 0 11 -4,-3.2 -3,-0.1 -7,-0.2 91,-0.1 0.182 35.4 -72.0 87.8 150.4 34.4 35.3 7.5 94 99 A I - 0 0 12 89,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.643 63.7-103.1 -73.0 130.9 32.9 36.0 10.9 95 100 A P >> - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.301 26.6-119.6 -58.7 140.6 35.5 35.1 13.5 96 101 A L H 3> S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.855 112.6 56.2 -50.8 -44.4 34.7 31.7 15.3 97 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 180,-0.4 0.851 110.4 46.4 -57.8 -32.1 34.5 33.3 18.8 98 103 A L H <> S+ 0 0 6 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.889 111.0 49.5 -77.0 -42.2 31.8 35.7 17.4 99 104 A I H X S+ 0 0 6 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.942 113.6 49.2 -57.1 -46.6 29.8 32.9 15.7 100 105 A K H X S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.906 111.4 47.5 -61.6 -44.6 30.0 31.0 19.0 101 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.921 114.0 47.8 -61.4 -46.1 28.8 34.0 21.1 102 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.940 112.8 47.7 -62.1 -46.3 26.0 34.7 18.6 103 108 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.930 112.9 49.6 -59.8 -45.1 24.9 31.0 18.6 104 109 A F H X S+ 0 0 53 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.920 112.9 46.0 -59.1 -46.7 25.0 30.9 22.5 105 110 A Q H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.898 111.6 51.0 -65.8 -42.4 22.9 34.1 22.8 106 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 109.2 51.9 -62.2 -39.9 20.3 32.9 20.2 107 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.881 107.4 52.6 -63.4 -36.1 20.0 29.6 22.1 108 113 A Q H X S+ 0 0 64 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.937 111.0 47.9 -63.1 -43.0 19.4 31.6 25.4 109 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 114.2 45.1 -62.4 -43.7 16.6 33.5 23.5 110 115 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.923 110.8 54.0 -66.3 -44.5 15.1 30.3 22.1 111 116 A A H X S+ 0 0 25 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.907 110.7 47.9 -57.9 -41.9 15.4 28.5 25.6 112 117 A F H X S+ 0 0 42 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.953 115.5 41.7 -63.2 -56.3 13.5 31.5 27.1 113 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.2 0.916 114.5 51.9 -57.9 -46.9 10.6 31.6 24.5 114 119 A H H ><5S+ 0 0 27 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.847 102.9 58.7 -59.7 -35.2 10.4 27.8 24.4 115 120 A S H 3<5S+ 0 0 75 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.715 108.6 46.7 -64.8 -22.7 10.0 27.7 28.3 116 121 A H T <<5S- 0 0 86 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.233 121.1-111.3 -99.6 9.1 6.9 30.0 27.8 117 122 A R T < 5S+ 0 0 194 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.792 73.9 139.1 61.5 34.5 5.6 27.6 25.0 118 123 A V < - 0 0 20 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.927 32.2-169.2-109.2 127.6 6.3 30.4 22.4 119 124 A L - 0 0 18 -2,-0.5 23,-2.0 1,-0.2 26,-0.3 -0.823 20.4-154.4-111.6 158.2 7.8 29.3 19.0 120 125 A H - 0 0 4 -2,-0.3 24,-0.5 21,-0.2 -1,-0.2 0.920 16.0-178.2 -91.2 -60.3 9.2 31.4 16.2 121 126 A R S S+ 0 0 59 48,-0.1 36,-0.1 23,-0.1 20,-0.1 0.116 72.5 57.7 83.2 -19.1 8.6 29.0 13.2 122 127 A D + 0 0 36 18,-0.1 -108,-0.1 34,-0.1 5,-0.1 -0.078 66.3 161.2-135.7 39.5 10.3 31.4 10.7 123 128 A L + 0 0 0 32,-0.1 32,-0.1 3,-0.1 17,-0.0 -0.366 12.9 147.0 -63.5 136.6 13.9 32.0 11.9 124 129 A K > - 0 0 30 -2,-0.1 3,-2.0 30,-0.0 4,-0.2 -0.958 62.7 -93.6-163.1 162.3 16.2 33.4 9.3 125 130 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -43,-1.2 0.821 119.5 63.6 -56.6 -31.0 19.2 35.8 9.1 126 131 A Q G 3 S+ 0 0 72 1,-0.2 -3,-0.1 -44,-0.2 -42,-0.0 0.685 104.1 46.5 -67.1 -20.0 16.9 38.7 8.3 127 132 A N G < S+ 0 0 8 -3,-2.0 12,-2.9 -5,-0.1 2,-0.5 0.227 91.6 89.1-109.9 17.7 15.1 38.4 11.7 128 133 A L E < - G 0 138B 0 -3,-1.3 -46,-2.4 -4,-0.2 2,-0.4 -0.968 65.4-163.2-109.0 120.1 18.3 38.1 13.8 129 134 A L E -FG 81 137B 31 8,-2.9 8,-2.5 -2,-0.5 2,-0.3 -0.862 6.1-162.4-114.4 141.6 19.4 41.6 14.8 130 135 A I E -FG 80 136B 0 -50,-2.9 -50,-1.1 -2,-0.4 -51,-0.3 -0.835 2.0-163.7-121.5 156.2 22.7 42.8 16.1 131 136 A N > - 0 0 37 4,-1.5 3,-1.2 -2,-0.3 -53,-0.1 -0.725 40.3 -95.3-126.4-178.8 24.0 45.9 17.9 132 137 A T T 3 S+ 0 0 78 1,-0.2 151,-0.1 -2,-0.2 -2,-0.0 0.641 114.2 67.4 -71.5 -17.7 27.5 47.5 18.7 133 138 A E T 3 S- 0 0 137 147,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.417 118.5-100.9 -84.0 -4.5 27.8 45.8 22.1 134 139 A G S < S+ 0 0 0 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.515 78.1 137.2 94.5 6.2 28.1 42.3 20.7 135 140 A A - 0 0 11 143,-0.1 -4,-1.5 -30,-0.0 2,-0.4 -0.540 35.5-163.8 -85.5 155.3 24.4 41.3 21.4 136 141 A I E - G 0 130B 0 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.986 9.0-169.1-134.6 140.0 22.2 39.4 19.0 137 142 A K E - G 0 129B 30 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.5 -0.988 20.5-125.9-135.9 144.5 18.4 39.3 19.3 138 143 A L E -eG 58 128B 1 -81,-2.6 -79,-2.7 -2,-0.3 2,-0.3 -0.770 26.2-158.2 -90.8 129.2 15.6 37.3 17.7 139 144 A A + 0 0 9 -12,-2.9 -79,-0.1 -2,-0.5 -12,-0.0 -0.847 64.4 24.5-107.5 146.4 12.7 39.3 16.2 140 145 A D > + 0 0 26 -2,-0.3 3,-1.3 -81,-0.3 4,-0.5 0.614 68.5 166.9 78.7 22.1 9.2 38.1 15.4 141 146 A F T 3 S+ 0 0 13 -3,-0.3 -21,-0.2 1,-0.2 -1,-0.2 -0.410 70.6 11.5 -63.7 140.7 8.8 35.3 18.0 142 147 A G T 3> S+ 0 0 6 -23,-2.0 4,-1.9 1,-0.1 -1,-0.2 0.238 94.3 108.2 78.5 -10.6 5.2 34.2 18.3 143 148 A L H <> S+ 0 0 3 -3,-1.3 4,-2.5 2,-0.2 5,-0.3 0.863 73.5 57.9 -66.0 -37.8 3.9 36.1 15.2 144 149 A A H > S+ 0 0 16 -24,-0.5 4,-2.3 -4,-0.5 -1,-0.2 0.925 111.6 40.4 -60.3 -43.4 3.4 32.9 13.2 145 150 A R H 4 S+ 0 0 156 -26,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.902 115.4 51.7 -70.1 -43.7 1.0 31.4 15.7 146 151 A A H < S+ 0 0 7 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.856 124.9 25.5 -62.0 -38.2 -0.8 34.7 16.5 147 152 A F H < S- 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.695 90.3-160.8-100.0 -25.0 -1.5 35.4 12.7 148 153 A G < 0 0 33 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.463 360.0 360.0 76.0-149.2 -1.6 32.0 11.1 149 154 A V 0 0 190 -2,-0.1 -1,-0.1 -4,-0.1 -5,-0.0 -0.908 360.0 360.0-163.2 360.0 -1.1 31.6 7.3 150 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 151 164 A V 0 0 166 0, 0.0 2,-0.5 0, 0.0 -137,-0.0 0.000 360.0 360.0 360.0 108.3 9.1 33.2 0.7 152 165 A T + 0 0 54 1,-0.1 3,-0.2 2,-0.0 41,-0.1 -0.679 360.0 177.2 -82.6 126.3 12.5 31.7 1.8 153 166 A L > + 0 0 18 39,-0.5 3,-1.6 -2,-0.5 -1,-0.1 0.380 52.2 104.0-101.6 -3.2 12.4 27.9 2.5 154 167 A W T 3 S+ 0 0 89 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.718 85.7 38.4 -57.4 -28.0 16.1 27.5 3.4 155 168 A Y T 3 S+ 0 0 13 -3,-0.2 2,-0.3 -32,-0.1 -1,-0.3 0.275 84.3 128.2-109.6 8.2 15.6 27.3 7.1 156 169 A R < - 0 0 68 -3,-1.6 -34,-0.1 1,-0.1 16,-0.1 -0.524 60.6-120.6 -74.9 129.2 12.4 25.1 7.2 157 170 A A >> - 0 0 1 -2,-0.3 4,-1.8 -36,-0.1 3,-0.7 -0.269 21.6-118.7 -63.9 146.9 12.5 22.0 9.4 158 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.1 0.856 111.9 61.4 -63.2 -30.9 11.9 18.7 7.5 159 172 A E H 34>S+ 0 0 2 2,-0.2 5,-2.7 1,-0.2 4,-0.1 0.861 105.2 47.7 -63.0 -32.5 8.7 17.9 9.6 160 173 A I H X45S+ 0 0 28 -3,-0.7 3,-1.8 3,-0.2 -1,-0.2 0.956 112.2 49.1 -71.0 -45.5 7.1 21.1 8.3 161 174 A L H 3<5S+ 0 0 8 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.785 108.9 54.0 -62.1 -29.7 8.1 20.2 4.7 162 175 A L T 3<5S- 0 0 0 -4,-2.0 60,-2.7 -5,-0.2 61,-0.4 0.313 124.7-102.4 -88.1 5.2 6.6 16.7 5.2 163 176 A G T < 5 + 0 0 22 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.636 58.2 165.0 86.8 19.1 3.3 18.2 6.3 164 177 A C < - 0 0 38 -5,-2.7 3,-0.3 1,-0.2 -1,-0.2 -0.507 17.0-168.8 -67.5 125.8 3.3 17.8 10.1 165 178 A K S S+ 0 0 72 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.745 77.7 53.2 -87.8 -29.0 0.5 20.1 11.3 166 179 A Y S S+ 0 0 216 -6,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.528 77.0 169.8-111.1 61.4 1.5 20.0 15.0 167 180 A Y - 0 0 74 -2,-0.5 2,-0.2 -3,-0.3 -2,-0.0 -0.197 17.0-144.1 -72.9 162.5 5.1 20.9 15.0 168 181 A S > - 0 0 47 -47,-0.0 3,-2.2 -49,-0.0 4,-0.3 -0.565 38.2 -76.6-118.4-177.8 7.2 21.7 18.1 169 182 A T T >> S+ 0 0 53 1,-0.3 3,-1.4 -2,-0.2 4,-0.8 0.690 114.8 80.9 -55.9 -21.9 9.9 24.0 19.5 170 183 A A H 3> S+ 0 0 8 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.745 76.7 70.7 -61.3 -24.3 12.4 21.6 17.5 171 184 A V H <> S+ 0 0 0 -3,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.861 98.0 48.9 -61.4 -32.8 11.6 23.6 14.3 172 185 A D H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.834 106.9 54.4 -76.6 -30.3 13.5 26.6 15.7 173 186 A I H X S+ 0 0 1 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.912 108.5 50.4 -66.4 -42.0 16.5 24.5 16.6 174 187 A W H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.959 111.8 46.7 -59.0 -54.3 16.6 23.2 13.0 175 188 A S H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 113.0 49.4 -56.3 -45.7 16.5 26.8 11.6 176 189 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.881 107.9 53.8 -64.5 -36.2 19.2 27.9 14.0 177 190 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 76,-0.2 -1,-0.2 0.910 108.5 50.4 -58.4 -46.5 21.4 24.9 13.1 178 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 11,-0.4 0.881 112.0 47.0 -57.9 -41.2 21.0 26.0 9.4 179 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.894 109.2 54.0 -70.1 -42.3 22.1 29.6 10.3 180 193 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.958 109.8 47.8 -55.1 -49.9 25.0 28.3 12.4 181 194 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 6,-0.3 0.880 111.1 51.7 -59.0 -42.6 26.3 26.3 9.3 182 195 A E H X S+ 0 0 18 -4,-1.8 4,-2.0 2,-0.2 5,-0.4 0.873 107.9 50.7 -65.2 -40.1 25.8 29.4 7.1 183 196 A M H < S+ 0 0 4 -4,-2.4 -89,-0.6 1,-0.2 -1,-0.2 0.930 115.2 44.6 -61.6 -41.6 27.9 31.7 9.5 184 197 A V H < S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.915 124.9 29.3 -67.6 -51.9 30.7 29.1 9.5 185 198 A T H < S- 0 0 47 -4,-2.6 -1,-0.2 2,-0.3 -2,-0.2 0.608 95.9-129.3 -87.8 -19.1 30.9 28.3 5.7 186 199 A R S < S+ 0 0 134 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.1 0.746 80.8 87.8 69.3 27.6 29.7 31.7 4.3 187 200 A R S S- 0 0 193 -5,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.977 90.1 -95.6-149.0 145.0 27.1 29.9 2.2 188 201 A A - 0 0 17 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.322 29.2-142.2 -59.9 139.5 23.5 28.8 2.8 189 202 A L S S+ 0 0 28 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.951 91.6 14.0 -69.2 -51.2 23.4 25.1 4.0 190 203 A F S S+ 0 0 3 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.740 70.4 179.6-127.5 77.3 20.2 24.1 2.1 191 204 A P + 0 0 38 0, 0.0 2,-0.1 0, 0.0 -37,-0.1 -0.424 17.4 173.9 -84.4 70.6 19.3 26.8 -0.5 192 205 A G - 0 0 3 -2,-1.9 -39,-0.5 1,-0.1 -38,-0.2 -0.407 25.9-164.0 -74.8 149.5 16.1 25.3 -1.9 193 206 A D S S+ 0 0 139 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.310 76.3 25.4-118.5 11.1 13.9 27.1 -4.4 194 207 A S S > S- 0 0 47 1,-0.1 4,-2.4 -41,-0.0 5,-0.2 -0.925 90.1-101.1-157.3 163.9 10.8 25.0 -4.1 195 208 A E H > S+ 0 0 103 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.904 123.2 44.0 -61.3 -39.6 9.4 22.8 -1.3 196 209 A I H > S+ 0 0 85 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.862 112.6 50.5 -73.0 -36.3 10.6 19.6 -3.0 197 210 A D H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 111.6 50.3 -68.3 -34.4 14.1 21.0 -3.9 198 211 A Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.963 113.4 44.9 -64.6 -50.6 14.4 22.1 -0.2 199 212 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 114.8 47.5 -59.4 -47.4 13.5 18.6 0.9 200 213 A F H X S+ 0 0 37 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.839 107.7 55.4 -68.8 -30.6 15.8 16.9 -1.6 201 214 A R H X S+ 0 0 90 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.897 110.1 47.6 -64.6 -39.2 18.7 19.2 -0.7 202 215 A I H >X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-0.6 0.954 113.2 48.2 -65.0 -46.8 18.3 18.1 2.9 203 216 A F H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.865 106.3 56.4 -63.3 -37.9 18.1 14.4 1.9 204 217 A R H 3< S+ 0 0 92 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.807 118.2 34.1 -66.7 -25.6 21.2 14.7 -0.3 205 218 A T H << S+ 0 0 20 -4,-1.1 28,-3.0 -3,-0.6 -2,-0.2 0.908 131.0 27.2 -91.0 -55.0 23.2 15.9 2.7 206 219 A L H < S- 0 0 5 -4,-2.9 26,-0.3 26,-0.2 -3,-0.2 0.455 114.5-103.3 -90.9 -3.7 21.8 14.1 5.7 207 220 A G < - 0 0 6 -4,-1.9 24,-0.2 24,-0.4 -1,-0.2 0.216 45.5 -68.0 92.0 146.1 20.5 11.0 3.9 208 221 A T - 0 0 21 22,-2.2 24,-0.1 -4,-0.1 21,-0.0 -0.530 63.5-117.7 -65.9 127.3 16.9 10.2 2.9 209 222 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.337 38.8 177.7 -69.5 151.0 15.1 9.6 6.3 210 223 A D > - 0 0 75 -3,-0.0 4,-2.4 -2,-0.0 7,-0.2 -0.810 48.0 -83.7-139.6-178.6 13.7 6.2 7.0 211 224 A E T 4 S+ 0 0 80 -2,-0.3 6,-0.1 1,-0.2 -1,-0.0 0.768 122.3 60.0 -63.7 -23.2 11.9 4.4 9.8 212 225 A V T 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.960 116.6 27.7 -70.1 -52.0 15.2 3.6 11.5 213 226 A V T 4 S+ 0 0 68 1,-0.3 44,-0.5 -3,-0.1 -2,-0.2 0.743 137.3 26.9 -82.5 -24.3 16.4 7.2 12.0 214 227 A W S >< S- 0 0 12 -4,-2.4 3,-2.4 42,-0.1 4,-0.3 -0.688 78.5-149.5-142.0 84.6 12.9 8.7 12.2 215 228 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.328 87.7 19.9 -59.0 131.4 10.1 6.4 13.5 216 229 A G T > S+ 0 0 30 4,-0.0 3,-1.5 3,-0.0 4,-0.2 0.248 86.7 119.0 93.5 -8.0 6.8 7.4 11.9 217 230 A V G X S+ 0 0 0 -3,-2.4 3,-1.5 1,-0.3 6,-0.1 0.848 70.2 57.3 -55.5 -41.7 8.4 9.3 9.0 218 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.554 104.1 53.4 -70.5 -9.8 6.9 7.1 6.3 219 232 A S G < S+ 0 0 98 -3,-1.5 -1,-0.3 5,-0.1 -2,-0.2 0.334 81.1 123.6-104.2 2.9 3.3 7.8 7.6 220 233 A M S X S- 0 0 26 -3,-1.5 3,-1.6 -4,-0.2 -57,-0.1 -0.298 75.1-109.8 -66.8 147.3 3.8 11.7 7.3 221 234 A P T 3 S+ 0 0 89 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.819 114.0 29.2 -50.8 -39.8 1.2 13.5 5.2 222 235 A D T 3 S+ 0 0 76 -60,-2.7 2,-0.3 2,-0.1 -59,-0.2 0.228 88.6 122.5-107.8 12.6 3.6 14.5 2.4 223 236 A Y < - 0 0 33 -3,-1.6 3,-0.0 -61,-0.4 -5,-0.0 -0.580 43.3-164.5 -73.4 137.2 5.9 11.6 2.6 224 237 A K > - 0 0 107 -2,-0.3 3,-2.6 1,-0.1 -5,-0.1 -0.986 23.6-145.0-123.2 126.4 6.1 9.6 -0.7 225 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.757 101.2 69.2 -56.5 -20.9 7.7 6.1 -0.9 226 239 A S T 3 + 0 0 105 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.461 68.7 122.1 -78.7 -0.1 8.9 7.2 -4.4 227 240 A F S < S- 0 0 11 -3,-2.6 -19,-0.0 1,-0.1 -4,-0.0 -0.394 74.7-106.3 -59.4 134.6 11.4 9.7 -2.8 228 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.278 28.7-121.8 -61.0 150.5 14.9 8.8 -4.0 229 242 A K - 0 0 175 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.838 34.8-178.1-100.6 101.9 17.2 7.1 -1.5 230 243 A W - 0 0 81 -2,-0.8 -22,-2.2 -27,-0.0 2,-0.2 -0.776 25.6-119.3 -98.7 146.1 20.4 9.2 -0.9 231 244 A A - 0 0 85 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.496 34.8-104.6 -78.8 148.7 23.2 8.2 1.4 232 245 A R - 0 0 124 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.463 31.8-136.0 -71.9 150.7 24.2 10.5 4.3 233 246 A Q - 0 0 58 -28,-3.0 2,-0.2 -2,-0.1 -1,-0.0 -0.676 22.8-101.8-102.8 158.5 27.3 12.8 4.1 234 247 A D >> - 0 0 122 -2,-0.2 3,-1.7 1,-0.1 4,-1.2 -0.587 21.2-132.0 -80.4 141.5 30.0 13.4 6.8 235 248 A F H 3> S+ 0 0 21 1,-0.3 4,-2.7 -2,-0.2 -1,-0.1 0.744 105.8 70.8 -62.2 -24.4 29.7 16.7 8.6 236 249 A S H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.796 105.5 39.5 -60.4 -29.3 33.5 17.1 8.0 237 250 A K H <4 S+ 0 0 138 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.758 116.3 53.8 -86.8 -31.9 32.5 17.7 4.3 238 251 A V H < S+ 0 0 21 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.898 123.5 15.5 -72.4 -49.6 29.4 19.8 5.2 239 252 A V S >< S- 0 0 0 -4,-2.7 3,-2.3 3,-0.1 -1,-0.2 -0.228 87.5-162.9-127.0 48.1 30.8 22.5 7.5 240 253 A P T 3 + 0 0 69 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.424 70.0 24.1 -65.7 143.6 34.7 22.6 7.1 241 254 A P T 3 S+ 0 0 122 0, 0.0 -5,-0.1 0, 0.0 -4,-0.0 -0.788 88.4 121.0-103.4 29.5 36.7 23.9 9.0 242 255 A L < - 0 0 5 -3,-2.3 -3,-0.1 1,-0.1 -61,-0.0 -0.309 63.5-118.4 -56.8 132.3 34.4 23.7 12.1 243 256 A D > - 0 0 56 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.098 29.8 -92.4 -67.4 171.8 36.0 21.6 14.9 244 257 A E H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.801 124.3 53.6 -56.9 -38.1 34.6 18.3 16.4 245 258 A D H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.944 112.1 44.4 -64.6 -48.3 32.6 20.1 19.1 246 259 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.911 114.6 48.2 -61.0 -44.7 30.9 22.4 16.6 247 260 A R H X S+ 0 0 52 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.906 111.5 50.7 -63.6 -41.5 30.1 19.5 14.2 248 261 A S H X S+ 0 0 46 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.957 113.1 45.8 -61.2 -49.0 28.8 17.3 17.1 249 262 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.927 113.2 49.7 -60.3 -46.6 26.5 20.2 18.2 250 263 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.3 0.919 106.8 54.4 -58.9 -44.6 25.3 20.9 14.7 251 264 A S H < S+ 0 0 28 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.884 109.1 49.7 -57.4 -35.7 24.6 17.2 14.1 252 265 A Q H >< S+ 0 0 69 -4,-1.8 10,-2.1 1,-0.2 3,-0.7 0.821 109.3 50.5 -72.7 -30.6 22.3 17.3 17.2 253 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.3 -1,-0.2 0.683 112.7 49.2 -76.3 -20.5 20.5 20.4 16.0 254 267 A L T 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.162 74.7 137.3-110.1 21.0 19.9 18.7 12.6 255 268 A H < - 0 0 66 -3,-0.7 6,-0.1 1,-0.1 -3,-0.1 -0.371 53.0-137.0 -63.4 140.8 18.5 15.3 13.8 256 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 -43,-0.1 -1,-0.1 0.936 86.7 74.9 -66.0 -50.0 15.5 14.3 11.6 257 270 A D S >> S- 0 0 17 -44,-0.5 4,-1.9 1,-0.2 3,-1.7 -0.563 75.8-147.4 -68.5 116.8 13.3 13.1 14.4 258 271 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.824 99.8 56.0 -55.2 -27.4 12.0 16.3 16.2 259 272 A N T 34 S+ 0 0 145 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.736 109.6 43.2 -74.0 -29.0 12.1 14.2 19.4 260 273 A K T <4 S+ 0 0 100 -3,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.704 90.5 106.7 -86.2 -27.3 15.8 13.3 19.1 261 274 A R S < S- 0 0 12 -4,-1.9 -8,-0.2 -6,-0.1 -9,-0.1 -0.278 83.1-102.8 -56.1 134.8 16.7 16.9 18.0 262 275 A I - 0 0 20 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.268 32.1-125.9 -59.7 144.4 18.6 18.8 20.9 263 276 A S > - 0 0 62 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.508 22.4-112.7 -82.9 167.3 16.6 21.3 22.9 264 277 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -153,-0.1 0.941 118.7 51.5 -63.7 -42.9 17.9 24.9 23.3 265 278 A K H > S+ 0 0 171 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.910 112.7 43.6 -59.1 -47.5 18.5 24.3 27.1 266 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.895 110.6 56.5 -67.1 -37.3 20.5 21.1 26.4 267 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 6,-0.2 0.856 98.3 61.0 -62.3 -36.4 22.5 22.8 23.6 268 281 A L H 3< S+ 0 0 44 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.786 104.3 50.9 -59.9 -25.4 23.6 25.6 26.0 269 282 A A T << S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.468 83.2 123.1 -89.9 -6.0 25.4 22.8 28.0 270 283 A H S X S- 0 0 18 -3,-1.5 3,-2.4 -4,-0.3 4,-0.2 -0.266 75.0-118.4 -61.9 138.5 27.2 21.3 25.0 271 284 A P G > S+ 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.717 107.5 77.9 -48.8 -23.6 31.0 21.2 25.2 272 285 A F G 3 S+ 0 0 0 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.803 92.9 51.5 -54.8 -32.5 31.2 23.6 22.2 273 286 A F G X S+ 0 0 13 -3,-2.4 3,-1.6 -6,-0.2 -1,-0.3 0.342 75.5 105.3 -89.7 7.0 30.4 26.4 24.6 274 287 A Q T < S+ 0 0 166 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.867 92.9 31.1 -53.9 -39.3 33.1 25.6 27.2 275 288 A D T 3 S+ 0 0 95 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.083 86.9 150.0-108.5 21.2 35.2 28.6 26.0 276 289 A V < + 0 0 40 -3,-1.6 2,-0.3 -176,-0.1 -178,-0.1 -0.206 15.8 169.6 -57.2 141.6 32.3 31.0 24.9 277 290 A T - 0 0 80 -180,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.832 37.9-112.8-139.0 178.7 33.1 34.7 25.3 278 291 A K - 0 0 130 -2,-0.3 -180,-0.1 -177,-0.1 -143,-0.1 -0.743 37.5-173.4-123.3 80.8 31.3 37.9 24.1 279 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.299 26.9-115.7 -69.1 164.2 33.4 39.7 21.5 280 293 A V - 0 0 113 -146,-0.0 2,-0.1 3,-0.0 -147,-0.1 -0.852 30.2-139.5 -95.8 120.9 32.7 43.2 20.0 281 294 A P - 0 0 10 0, 0.0 2,-0.8 0, 0.0 -147,-0.1 -0.502 17.3-116.5 -77.8 159.1 31.9 43.0 16.2 282 295 A H - 0 0 172 -2,-0.1 2,-0.5 2,-0.0 -150,-0.0 -0.855 41.7-172.2 -92.8 109.9 33.2 45.6 13.9 283 296 A L - 0 0 23 -2,-0.8 2,-0.7 -151,-0.1 -151,-0.0 -0.943 18.2-159.2-110.0 130.6 30.0 47.2 12.6 284 297 A R 0 0 76 -2,-0.5 -196,-0.0 0, 0.0 -2,-0.0 -0.923 360.0 360.0-103.8 111.8 29.9 49.7 9.9 285 298 A L 0 0 140 -2,-0.7 -205,-0.1 -205,-0.0 -2,-0.0 -0.759 360.0 360.0-106.7 360.0 26.5 51.6 10.2